CID 165904472

3-[nitroso(propan-2-yl)amino]propanoic acid

Structural Information

Molecular Formula
C6H12N2O3
SMILES
CC(C)N(CCC(=O)O)N=O
InChI
InChI=1S/C6H12N2O3/c1-5(2)8(7-11)4-3-6(9)10/h5H,3-4H2,1-2H3,(H,9,10)
InChIKey
HQDHGOHKNMCNRK-UHFFFAOYSA-N
Compound name
3-[nitroso(propan-2-yl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.0848 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09208 134.2
[M+Na]+ 183.07402 141.3
[M+NH4]+ 178.11862 140.2
[M+K]+ 199.04796 138.7
[M-H]- 159.07752 133.0
[M+Na-2H]- 181.05947 136.5
[M]+ 160.08425 134.3
[M]- 160.08535 134.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.